N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride

C13H13Cl3F3N5O — CID 120506358

IUPACN-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F.Cl
InChIInChI=1S/C13H12Cl2F3N5O.ClH/c1-6(3-19)22-12(24)8-5-21-23(10(8)13(16,17)18)11-9(15)2-7(14)4-20-11;/h2,4-6H,3,19H2,1H3,(H,22,24);1H/t6-;/m0./s1
InChIKeyMWMKOSNINULHKX-RGMNGODLSA-N
MW418.63 g/mol
LogP3.09
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 120506358) has the molecular formula C13H13Cl3F3N5O and a molecular weight of 418.63 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID120506358
Molecular FormulaC13H13Cl3F3N5O
Molecular Weight418.63 g/mol
Exact Mass417.01
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F.Cl
InChIInChI=1S/C13H12Cl2F3N5O.ClH/c1-6(3-19)22-12(24)8-5-21-23(10(8)13(16,17)18)11-9(15)2-7(14)4-20-11;/h2,4-6H,3,19H2,1H3,(H,22,24);1H/t6-;/m0./s1
InChIKeyMWMKOSNINULHKX-RGMNGODLSA-N
XLogP3.09
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 120505787
1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 136524333
2-[4-[1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-prop-2-ynylacetamide
CID 166198058
N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141361768
N-(2-amino-2-ethylbutyl)-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119641206
N-[(2S)-1-aminopropan-2-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120506039
1-(3-chloro-2-pyridinyl)-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119501500
N-(3-aminopropyl)-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119406316
1-(6-amino-4-methyl-3-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285164
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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N-(4-methoxybutan-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 71685118
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride (CID 120506358) is N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride is C[C@@H](CN)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is MWMKOSNINULHKX-RGMNGODLSA-N. The full InChI is InChI=1S/C13H12Cl2F3N5O.ClH/c1-6(3-19)22-12(24)8-5-21-23(10(8)13(16,17)18)11-9(15)2-7(14)4-20-11;/h2,4-6H,3,19H2,1H3,(H,22,24);1H/t6-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 418.63 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120506358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).